Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a9s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 58.A OE1 no hydrogen 3.320 N/A ALA 1.A N GLU 58.A OE2 no hydrogen 3.014 N/A LYS 2.A NZ ASP 3.A O no hydrogen 2.822 N/A LYS 2.A NZ GLY 8.A O no hydrogen 2.845 N/A ASP 3.A N GLY 8.A O no hydrogen 3.103 N/A ARG 5.A N ASP 3.A OD1 no hydrogen 2.927 N/A ARG 5.A NH1 ALA 334.A O no hydrogen 3.448 N/A ARG 5.A NH1 PRO 335.A O no hydrogen 2.934 N/A ARG 5.A NH2 ALA 334.A O no hydrogen 2.753 N/A TYR 6.A N ASP 3.A OD1 no hydrogen 2.916 N/A TYR 6.A OH ALA 298.A O no hydrogen 2.906 N/A VAL 7.A N ASN 297.A OD1 no hydrogen 3.101 N/A LEU 10.A N ALA 1.A O no hydrogen 2.831 N/A LYS 12.A N GLY 83.A O no hydrogen 3.142 N/A LYS 12.A NZ GLU 82.A O no hydrogen 3.316 N/A LYS 12.A NZ GLU 82.A OE1 no hydrogen 3.475 N/A ILE 13.A N GLU 58.A O no hydrogen 2.969 N/A GLY 14.A N VAL 86.A O no hydrogen 2.748 N/A ILE 15.A N VAL 60.A O no hydrogen 2.744 N/A ARG 16.A N ILE 88.A O no hydrogen 2.755 N/A ARG 16.A NH1 THR 89.A OG1 no hydrogen 3.037 N/A ARG 16.A NH1 THR 100.A O no hydrogen 3.043 N/A ARG 16.A NH2 THR 100.A O no hydrogen 2.881 N/A THR 18.A N VAL 90.A O no hydrogen 2.962 N/A THR 18.A OG1 VAL 90.A O no hydrogen 3.532 N/A ILE 19.A N ILE 66.A O no hydrogen 2.803 N/A ARG 22.A N ASP 20.A OD1 no hydrogen 2.988 N/A ARG 22.A NE ASP 20.A OD1 no hydrogen 3.167 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 3.447 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 3.014 N/A GLY 25.A N GLU 28.A OE1 no hydrogen 3.360 N/A GLY 25.A N GLU 28.A OE2 no hydrogen 2.819 N/A ARG 27.A N ARG 22.A O no hydrogen 2.786 N/A ARG 27.A NE GLU 31.A OE2 no hydrogen 2.808 N/A ARG 27.A NH1 GLU 71.A OE1 no hydrogen 3.261 N/A ARG 27.A NH1 GLU 71.A OE2 no hydrogen 2.858 N/A ARG 27.A NH2 GLU 31.A OE2 no hydrogen 3.557 N/A ARG 27.A NH2 CYS 65.A O no hydrogen 3.331 N/A ARG 27.A NH2 GLU 71.A OE2 no hydrogen 2.946 N/A GLU 28.A N GLU 28.A OE2 no hydrogen 2.660 N/A SER 29.A N GLY 25.A O no hydrogen 3.222 N/A SER 29.A N VAL 26.A O no hydrogen 3.113 N/A SER 29.A OG GLY 25.A O no hydrogen 3.211 N/A SER 29.A OG VAL 26.A O no hydrogen 2.745 N/A LEU 30.A N ARG 27.A O no hydrogen 2.924 N/A GLU 31.A N ARG 27.A O no hydrogen 3.142 N/A THR 34.A N LEU 30.A O no hydrogen 2.951 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.755 N/A MET 35.A N GLU 31.A O no hydrogen 2.978 N/A ASN 36.A N GLU 32.A O no hydrogen 2.909 N/A MET 37.A N THR 33.A O no hydrogen 3.068 N/A ALA 38.A N THR 34.A O no hydrogen 3.221 N/A LYS 39.A N MET 35.A O no hydrogen 2.899 N/A ALA 40.A N ASN 36.A O no hydrogen 2.925 N/A VAL 41.A N MET 37.A O no hydrogen 3.037 N/A ALA 42.A N ALA 38.A O no hydrogen 3.038 N/A LYS 43.A N LYS 39.A O no hydrogen 2.941 N/A LYS 43.A NZ GLU 47.A OE1 no hydrogen 3.555 N/A LYS 43.A NZ GLU 47.A OE2 no hydrogen 3.045 N/A LEU 44.A N ALA 40.A O no hydrogen 2.969 N/A LEU 45.A N VAL 41.A O no hydrogen 2.928 N/A GLU 46.A N ALA 42.A O no hydrogen 2.942 N/A GLU 47.A N LYS 43.A O no hydrogen 3.125 N/A GLU 47.A N LEU 44.A O no hydrogen 3.270 N/A ASN 48.A N LEU 45.A O no hydrogen 3.138 N/A ASN 48.A ND2 LEU 44.A O no hydrogen 2.792 N/A VAL 49.A N LEU 45.A O no hydrogen 2.751 N/A TYR 51.A N GLN 55.A O no hydrogen 2.758 N/A TYR 51.A OH PRO 11.A O no hydrogen 2.610 N/A TYR 52.A OH ASP 3.A OD1 no hydrogen 2.605 N/A ASN 53.A ND2 GLN 55.A OE1 no hydrogen 2.894 N/A GLY 54.A N TYR 51.A O no hydrogen 2.947 N/A GLN 55.A N ASN 53.A OD1 no hydrogen 3.064 N/A VAL 57.A N VAL 49.A O no hydrogen 2.884 N/A GLU 58.A N TYR 51.A OH no hydrogen 3.034 N/A VAL 60.A N ILE 13.A O no hydrogen 2.782 N/A ALA 62.A N ILE 15.A O no hydrogen 3.188 N/A THR 64.A OG1 CYS 65.A O no hydrogen 2.914 N/A CYS 65.A SG GLU 31.A O no hydrogen 3.900 N/A ILE 66.A N PRO 17.A O no hydrogen 2.656 N/A GLY 67.A N GLU 71.A OE1 no hydrogen 2.906 N/A ALA 72.A N GLY 68.A O no hydrogen 3.031 N/A ALA 73.A N VAL 69.A O no hydrogen 2.808 N/A GLU 74.A N LYS 70.A O no hydrogen 2.966 N/A ALA 75.A N GLU 71.A O no hydrogen 2.988 N/A ALA 76.A N ALA 72.A O no hydrogen 2.997 N/A GLU 77.A N ALA 73.A O no hydrogen 2.933 N/A LYS 78.A N GLU 74.A O no hydrogen 2.967 N/A LYS 78.A NZ ILE 61.A O no hydrogen 2.802 N/A LYS 78.A NZ ASP 63.A OD1 no hydrogen 2.674 N/A PHE 79.A N ALA 75.A O no hydrogen 2.863 N/A ALA 80.A N ALA 76.A O no hydrogen 2.961 N/A ARG 81.A N GLU 77.A O no hydrogen 3.094 N/A ARG 81.A NE GLU 77.A OE2 no hydrogen 3.184 N/A GLU 82.A N LYS 78.A O no hydrogen 2.900 N/A VAL 84.A N PHE 79.A O no hydrogen 2.924 N/A GLY 85.A N LYS 12.A O no hydrogen 2.806 N/A SER 87.A N PRO 108.A O no hydrogen 2.970 N/A SER 87.A OG ASP 102.A OD2 no hydrogen 2.723 N/A ILE 88.A N GLY 14.A O no hydrogen 2.836 N/A THR 89.A N ALA 110.A O no hydrogen 2.858 N/A VAL 90.A N ARG 16.A O no hydrogen 2.877 N/A THR 91.A N TRP 112.A O no hydrogen 3.249 N/A THR 91.A OG1 THR 18.A O no hydrogen 2.722 N/A THR 91.A OG1 CYS 93.A O no hydrogen 3.341 N/A CYS 93.A N THR 91.A OG1 no hydrogen 3.237 N/A CYS 93.A SG THR 91.A OG1 no hydrogen 3.549 N/A CYS 93.A SG TRP 94.A O no hydrogen 3.577 N/A CYS 95.A SG THR 18.A OG1 no hydrogen 3.461 N/A CYS 95.A SG THR 91.A OG1 no hydrogen 3.167 N/A CYS 95.A SG CYS 93.A O no hydrogen 3.583 N/A GLY 97.A N CYS 95.A O no hydrogen 2.996 N/A GLU 99.A N TYR 96.A O no hydrogen 2.820 N/A THR 100.A N GLY 97.A O no hydrogen 2.949 N/A THR 100.A OG1 GLY 97.A O no hydrogen 3.041 N/A THR 100.A OG1 TYR 124.A OH no hydrogen 2.800 N/A ASP 102.A N TYR 132.A OH no hydrogen 2.902 N/A ASP 104.A N ASP 102.A OD1 no hydrogen 3.021 N/A HIS 106.A N ASP 104.A OD1 no hydrogen 2.894 N/A LYS 109.A NZ ASP 104.A O no hydrogen 2.673 N/A LYS 109.A NZ ILE 107.A O no hydrogen 2.756 N/A ALA 110.A N SER 87.A O no hydrogen 3.010 N/A VAL 111.A N PHE 140.A O no hydrogen 2.816 N/A TRP 112.A N THR 89.A O no hydrogen 2.745 N/A GLY 113.A N ILE 142.A O no hydrogen 3.270 N/A PHE 114.A N THR 91.A O no hydrogen 2.959 N/A ASN 115.A ND2 GLY 144.A O no hydrogen 2.826 N/A THR 117.A OG1 GLU 118.A OE2 no hydrogen 3.281 N/A GLY 121.A N ARG 119.A O no hydrogen 2.704 N/A TYR 124.A N PRO 120.A O no hydrogen 3.036 N/A TYR 124.A OH THR 100.A OG1 no hydrogen 2.800 N/A LEU 125.A N GLY 121.A O no hydrogen 3.091 N/A ALA 126.A N ALA 122.A O no hydrogen 2.951 N/A ALA 127.A N VAL 123.A O no hydrogen 2.865 N/A VAL 128.A N TYR 124.A O no hydrogen 2.714 N/A LEU 129.A N LEU 125.A O no hydrogen 2.966 N/A ALA 130.A N ALA 126.A O no hydrogen 3.045 N/A GLY 131.A N ALA 127.A O no hydrogen 3.173 N/A TYR 132.A N VAL 128.A O no hydrogen 2.821 N/A ASN 133.A N LEU 129.A O no hydrogen 2.832 N/A ASN 133.A ND2 ASP 568.A OD2 no hydrogen 2.934 N/A GLN 134.A N ALA 130.A O no hydrogen 2.855 N/A LYS 135.A N GLY 131.A O no hydrogen 2.904 N/A GLY 136.A N ASN 133.A O no hydrogen 3.435 N/A LEU 137.A N TYR 132.A O no hydrogen 2.897 N/A PHE 140.A N LYS 109.A O no hydrogen 2.908 N/A ILE 142.A N VAL 111.A O no hydrogen 2.856 N/A LYS 145.A N ASP 158.A OD1 no hydrogen 2.982 N/A GLN 148.A N ASN 115.A O no hydrogen 2.832 N/A GLN 148.A NE2 ASN 154.A O no hydrogen 2.753 N/A ASP 152.A N ASP 149.A O no hydrogen 3.077 N/A ASN 154.A N ASP 152.A OD1 no hydrogen 2.839 N/A LYS 160.A N PRO 156.A O no hydrogen 2.842 N/A GLU 161.A N GLU 157.A O no hydrogen 3.034 N/A LYS 162.A N ASP 158.A O no hydrogen 3.389 N/A LEU 163.A N VAL 159.A O no hydrogen 2.941 N/A ILE 164.A N LYS 160.A O no hydrogen 2.948 N/A ARG 165.A N GLU 161.A O no hydrogen 2.931 N/A ARG 165.A NE ASP 542.A OD1 no hydrogen 2.703 N/A ARG 165.A NH1 GLU 161.A OE2 no hydrogen 3.046 N/A ARG 165.A NH2 ASP 542.A OD1 no hydrogen 3.419 N/A PHE 166.A N LYS 162.A O no hydrogen 2.913 N/A ALA 167.A N LEU 163.A O no hydrogen 2.932 N/A LYS 168.A N ILE 164.A O no hydrogen 2.922 N/A ALA 169.A N ARG 165.A O no hydrogen 3.072 N/A GLY 170.A N PHE 166.A O no hydrogen 2.725 N/A LEU 171.A N ALA 167.A O no hydrogen 2.843 N/A ALA 172.A N LYS 168.A O no hydrogen 2.967 N/A VAL 173.A N ALA 169.A O no hydrogen 3.054 N/A ALA 174.A N GLY 170.A O no hydrogen 2.939 N/A MET 175.A N LEU 171.A O no hydrogen 2.818 N/A MET 176.A N VAL 173.A O no hydrogen 3.345 N/A GLY 178.A N GLY 206.A O no hydrogen 2.801 N/A LYS 179.A N MET 176.A O no hydrogen 3.061 N/A LYS 179.A NZ MET 175.A O no hydrogen 2.719 N/A SER 180.A N ASN 297.A O no hydrogen 2.985 N/A SER 180.A OG ARG 296.A O no hydrogen 2.934 N/A SER 180.A OG ASN 297.A O no hydrogen 3.363 N/A TYR 181.A N ARG 208.A O no hydrogen 2.909 N/A TYR 181.A OH ASN 342.A OD1 no hydrogen 2.787 N/A LEU 182.A N VAL 300.A O no hydrogen 3.000 N/A SER 183.A N GLU 210.A O no hydrogen 2.837 N/A SER 183.A OG GLY 185.A O no hydrogen 3.165 N/A ILE 184.A N GLY 302.A O no hydrogen 2.916 N/A GLY 185.A N VAL 212.A O no hydrogen 2.862 N/A SER 186.A N GLN 304.A OE1 no hydrogen 2.832 N/A SER 188.A N SER 194.A OG no hydrogen 2.988 N/A SER 188.A OG GLN 304.A O no hydrogen 3.403 N/A SER 188.A OG GLN 306.A O no hydrogen 2.836 N/A ILE 191.A N SER 188.A O no hydrogen 2.919 N/A SER 194.A N ILE 191.A O no hydrogen 2.929 N/A SER 194.A OG ILE 191.A O no hydrogen 2.658 N/A VAL 195.A N ALA 192.A O no hydrogen 3.054 N/A PHE 200.A N GLN 197.A O no hydrogen 3.032 N/A GLN 202.A N GLU 198.A O no hydrogen 2.844 N/A ASN 203.A N ASP 199.A O no hydrogen 2.857 N/A TYR 204.A N PHE 200.A O no hydrogen 2.889 N/A LEU 205.A N PHE 201.A O no hydrogen 3.265 N/A GLY 206.A N GLN 202.A O no hydrogen 3.193 N/A MET 207.A N PHE 201.A O no hydrogen 2.849 N/A ARG 208.A N LYS 179.A O no hydrogen 2.847 N/A GLU 210.A N TYR 181.A O no hydrogen 3.007 N/A TYR 211.A OH GLU 198.A OE2 no hydrogen 2.574 N/A VAL 212.A N SER 183.A O no hydrogen 2.907 N/A SER 215.A N ASP 213.A OD1 no hydrogen 2.865 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 2.698 N/A GLU 216.A N ASP 213.A O no hydrogen 3.004 N/A PHE 217.A N MET 214.A O no hydrogen 2.903 N/A ARG 219.A N SER 215.A O no hydrogen 3.096 N/A ARG 219.A NH1 GLU 292.A OE2 no hydrogen 3.324 N/A ARG 219.A NH2 GLU 216.A OE2 no hydrogen 2.838 N/A ARG 219.A NH2 GLU 292.A OE2 no hydrogen 2.838 N/A ARG 220.A N GLU 216.A O no hydrogen 2.997 N/A ARG 220.A NE GLU 216.A OE2 no hydrogen 2.785 N/A ARG 220.A NH1 GLU 216.A OE2 no hydrogen 3.353 N/A ILE 221.A N PHE 217.A O no hydrogen 2.945 N/A GLU 222.A N VAL 218.A O no hydrogen 2.908 N/A LEU 223.A N ARG 219.A O no hydrogen 2.847 N/A GLY 224.A N ILE 221.A O no hydrogen 3.358 N/A ILE 225.A N ARG 220.A O no hydrogen 2.780 N/A GLU 230.A N ASP 227.A OD1 no hydrogen 3.042 N/A TYR 231.A N ASP 227.A O no hydrogen 2.865 N/A GLU 232.A N LYS 228.A O no hydrogen 3.050 N/A ARG 233.A N GLU 229.A O no hydrogen 3.215 N/A ARG 233.A NH1 ASN 330.A OD1 no hydrogen 3.070 N/A ARG 233.A NH2 ASN 330.A OD1 no hydrogen 2.936 N/A ALA 234.A N GLU 230.A O no hydrogen 2.735 N/A LEU 235.A N TYR 231.A O no hydrogen 2.880 N/A LYS 236.A N GLU 232.A O no hydrogen 3.127 N/A LYS 236.A NZ GLU 240.A OE1 no hydrogen 3.466 N/A LYS 236.A NZ GLU 240.A OE2 no hydrogen 2.812 N/A TRP 237.A N ARG 233.A O no hydrogen 2.922 N/A VAL 238.A N ALA 234.A O no hydrogen 2.862 N/A LYS 239.A N LEU 235.A O no hydrogen 3.013 N/A LYS 239.A NZ GLU 261.A OE1 no hydrogen 3.194 N/A LYS 239.A NZ GLU 261.A OE2 no hydrogen 3.047 N/A GLU 240.A N LYS 236.A O no hydrogen 3.061 N/A ASN 241.A N TRP 237.A O no hydrogen 2.847 N/A ASN 241.A ND2 TRP 237.A O no hydrogen 3.088 N/A CYS 242.A N VAL 238.A O no hydrogen 2.785 N/A LYS 243.A NZ GLU 432.A O no hydrogen 2.777 N/A LYS 243.A NZ THR 434.A O no hydrogen 2.755 N/A GLY 245.A N PHE 436.A O no hydrogen 2.798 N/A ASN 249.A N ASP 247.A OD1 no hydrogen 2.830 N/A ASN 249.A ND2 ASP 247.A OD1 no hydrogen 2.957 N/A ASN 249.A ND2 ALA 439.A O no hydrogen 2.834 N/A PHE 253.A N ARG 250.A O no hydrogen 2.687 N/A LYS 254.A N ASP 251.A O no hydrogen 3.063 N/A LYS 254.A NZ ASP 247.A O no hydrogen 3.559 N/A LYS 254.A NZ ASN 249.A O no hydrogen 2.539 N/A ARG 255.A NE ASP 263.A OD2 no hydrogen 2.850 N/A ARG 255.A NH1 ASP 263.A OD1 no hydrogen 2.988 N/A THR 256.A N GLN 259.A OE1 no hydrogen 2.933 N/A THR 256.A OG1 GLN 259.A OE1 no hydrogen 3.494 N/A GLN 259.A N THR 256.A OG1 no hydrogen 3.120 N/A LYS 260.A N THR 256.A O no hydrogen 2.933 N/A LYS 260.A NZ ASP 247.A OD2 no hydrogen 2.769 N/A GLU 261.A N GLU 257.A O no hydrogen 3.136 N/A LYS 262.A N GLU 258.A O no hydrogen 3.099 N/A ASP 263.A N GLN 259.A O no hydrogen 2.715 N/A TRP 264.A N LYS 260.A O no hydrogen 3.275 N/A GLU 265.A N GLU 261.A O no hydrogen 3.135 N/A ILE 266.A N LYS 262.A O no hydrogen 2.911 N/A SER 267.A N ASP 263.A O no hydrogen 2.954 N/A SER 267.A OG ASP 263.A O no hydrogen 2.630 N/A VAL 268.A N TRP 264.A O no hydrogen 2.980 N/A LYS 269.A N GLU 265.A O no hydrogen 3.069 N/A LYS 269.A NZ TYR 226.A OH no hydrogen 3.281 N/A MET 270.A N ILE 266.A O no hydrogen 2.827 N/A ALA 271.A N SER 267.A O no hydrogen 3.249 N/A LEU 272.A N VAL 268.A O no hydrogen 3.153 N/A ILE 273.A N LYS 269.A O no hydrogen 2.924 N/A ALA 274.A N MET 270.A O no hydrogen 2.916 N/A ARG 275.A N ALA 271.A O no hydrogen 3.114 N/A ARG 275.A NH1 GLU 230.A OE2 no hydrogen 2.699 N/A ARG 275.A NH2 GLU 230.A OE1 no hydrogen 2.780 N/A ARG 275.A NH2 GLU 230.A OE2 no hydrogen 3.455 N/A ARG 275.A NH2 ASP 276.A OD1 no hydrogen 3.289 N/A ASP 276.A N LEU 272.A O no hydrogen 2.872 N/A LEU 277.A N ILE 273.A O no hydrogen 2.889 N/A MET 278.A N ALA 274.A O no hydrogen 3.066 N/A VAL 279.A N ARG 275.A O no hydrogen 3.032 N/A GLY 280.A N ASP 276.A O no hydrogen 2.771 N/A ASN 281.A N ALA 293.A O no hydrogen 2.915 N/A ASN 281.A ND2 ASP 276.A OD1 no hydrogen 2.952 N/A LYS 282.A NZ GLU 285.A OE1 no hydrogen 2.924 N/A LYS 283.A N ASN 281.A OD1 no hydrogen 2.909 N/A LYS 283.A NZ GLU 286.A OE1 no hydrogen 3.035 N/A LEU 284.A N ASN 281.A O no hydrogen 2.942 N/A GLU 285.A N LYS 282.A O no hydrogen 3.019 N/A GLU 286.A N LYS 282.A O no hydrogen 3.341 N/A MET 287.A N LYS 283.A O no hydrogen 3.118 N/A MET 287.A N LEU 284.A O no hydrogen 3.154 N/A GLY 288.A N GLU 285.A O no hydrogen 3.011 N/A TYR 289.A N LEU 284.A O no hydrogen 2.833 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.641 N/A ALA 293.A N TYR 289.A O no hydrogen 3.014 N/A LEU 294.A N GLU 291.A O no hydrogen 3.132 N/A ARG 296.A N LEU 277.A O no hydrogen 2.781 N/A ARG 296.A NE GLU 210.A OE2 no hydrogen 2.643 N/A ARG 296.A NH2 GLU 210.A OE2 no hydrogen 2.737 N/A ARG 296.A NH2 TYR 211.A O no hydrogen 3.076 N/A ALA 298.A N MET 278.A O no hydrogen 2.892 N/A ILE 299.A N SER 180.A O no hydrogen 3.094 N/A ALA 301.A N ILE 337.A O no hydrogen 3.144 N/A GLY 302.A N LEU 182.A O no hydrogen 2.999 N/A PHE 303.A N ALA 339.A O no hydrogen 3.040 N/A GLN 304.A N ILE 184.A O no hydrogen 2.870 N/A GLN 304.A NE2 GLN 306.A O no hydrogen 3.186 N/A ARG 307.A NE ASP 311.A OD1 no hydrogen 2.969 N/A ARG 307.A NE ASP 311.A OD2 no hydrogen 3.200 N/A ARG 307.A NH2 ASP 311.A OD1 no hydrogen 3.550 N/A ARG 307.A NH2 ASP 311.A OD2 no hydrogen 2.908 N/A TRP 309.A N GLY 305.A O no hydrogen 2.991 N/A TRP 309.A NE1 PRO 314.A O no hydrogen 2.824 N/A THR 310.A OG1 ARG 307.A O no hydrogen 3.386 N/A ASP 311.A N ARG 307.A O no hydrogen 3.017 N/A TYR 312.A N TRP 309.A O no hydrogen 3.209 N/A PHE 313.A N TRP 309.A O no hydrogen 2.779 N/A ASN 315.A N GLY 447.A O no hydrogen 2.897 N/A ASP 317.A N ASN 315.A OD1 no hydrogen 2.930 N/A GLU 320.A N GLY 316.A O no hydrogen 2.816 N/A THR 321.A N ASP 317.A O no hydrogen 2.862 N/A THR 321.A OG1 ASP 317.A O no hydrogen 2.670 N/A THR 321.A OG1 THR 451.A OG1 no hydrogen 2.628 N/A ILE 322.A N PHE 318.A O no hydrogen 2.812 N/A LEU 323.A N MET 319.A O no hydrogen 3.014 N/A ASN 324.A ND2 GLU 320.A O no hydrogen 2.920 N/A ASN 324.A ND2 PHE 338.A O no hydrogen 2.834 N/A SER 325.A N ILE 322.A O no hydrogen 3.102 N/A SER 325.A OG THR 321.A O no hydrogen 2.792 N/A SER 326.A N ASP 403.A OD1 no hydrogen 3.110 N/A SER 326.A OG ASP 403.A OD1 no hydrogen 3.459 N/A SER 326.A OG ASP 403.A OD2 no hydrogen 2.634 N/A ASP 328.A N GLY 331.A O no hydrogen 3.160 N/A TRP 329.A NE1 GLU 230.A OE2 no hydrogen 2.933 N/A ASN 330.A N ASP 328.A OD1 no hydrogen 2.803 N/A ASN 330.A ND2 GLU 230.A OE2 no hydrogen 2.819 N/A GLY 331.A N ASP 328.A O no hydrogen 2.877 N/A ARG 333.A N SER 326.A O no hydrogen 2.930 N/A ARG 333.A NE ASP 328.A OD2 no hydrogen 2.741 N/A ARG 333.A NH1 LEU 323.A O no hydrogen 3.253 N/A ARG 333.A NH1 SER 325.A O no hydrogen 2.881 N/A ARG 333.A NH1 ALA 334.A O no hydrogen 3.034 N/A ARG 333.A NH2 ILE 322.A O no hydrogen 2.769 N/A ARG 333.A NH2 ASP 328.A OD2 no hydrogen 2.977 N/A TYR 336.A N LEU 323.A O no hydrogen 2.862 N/A PHE 338.A N ASN 324.A OD1 no hydrogen 3.124 N/A ALA 339.A N ALA 301.A O no hydrogen 2.739 N/A THR 340.A OG1 GLU 320.A OE1 no hydrogen 2.653 N/A ASN 342.A ND2 SER 183.A OG no hydrogen 2.988 N/A ASN 342.A ND2 SER 186.A O no hydrogen 3.020 N/A ASP 343.A N THR 340.A O no hydrogen 3.157 N/A ASN 344.A ND2 VAL 195.A O no hydrogen 3.027 N/A ASN 346.A N ASP 343.A O no hydrogen 3.060 N/A ASN 346.A N ASP 343.A OD1 no hydrogen 3.190 N/A ASN 346.A ND2 CYS 532.A O no hydrogen 3.024 N/A GLY 347.A N ASP 343.A O no hydrogen 2.950 N/A ILE 348.A N ASN 344.A O no hydrogen 2.893 N/A SER 349.A N LEU 345.A O no hydrogen 3.011 N/A SER 349.A OG LEU 345.A O no hydrogen 2.705 N/A MET 350.A N ASN 346.A O no hydrogen 2.832 N/A LEU 351.A N GLY 347.A O no hydrogen 2.847 N/A PHE 352.A N ILE 348.A O no hydrogen 2.884 N/A GLY 353.A N SER 349.A O no hydrogen 3.404 N/A TYR 354.A N MET 350.A O no hydrogen 2.844 N/A LEU 355.A N LEU 351.A O no hydrogen 2.842 N/A LEU 356.A N PHE 352.A O no hydrogen 3.209 N/A LEU 356.A N GLY 353.A O no hydrogen 3.339 N/A THR 357.A N TYR 354.A O no hydrogen 3.105 N/A THR 357.A OG1 GLY 353.A O no hydrogen 2.785 N/A THR 357.A OG1 THR 359.A OG1 no hydrogen 2.693 N/A ASN 358.A N TYR 354.A O no hydrogen 2.594 N/A ASN 358.A ND2 PHE 50.A O no hydrogen 3.277 N/A ASN 358.A ND2 TYR 420.A OH no hydrogen 2.975 N/A THR 359.A N THR 357.A OG1 no hydrogen 3.125 N/A THR 359.A OG1 THR 357.A OG1 no hydrogen 2.693 N/A GLN 361.A NE2 THR 359.A O no hydrogen 2.910 N/A GLN 361.A NE2 SER 535.A OG no hydrogen 3.223 N/A ILE 362.A N ILE 534.A O no hydrogen 2.861 N/A ALA 364.A N CYS 532.A O no hydrogen 3.092 N/A VAL 366.A N ASN 530.A O no hydrogen 2.889 N/A ARG 367.A N HIS 393.A O no hydrogen 3.039 N/A ARG 367.A NH1 ASP 499.A OD2 no hydrogen 3.006 N/A ARG 367.A NH2 ASP 499.A OD2 no hydrogen 2.887 N/A TRP 370.A N ILE 391.A O no hydrogen 2.822 N/A ALA 374.A N SER 371.A OG no hydrogen 2.998 N/A VAL 375.A N SER 371.A O no hydrogen 2.980 N/A LYS 376.A N PRO 372.A O no hydrogen 2.923 N/A LYS 376.A NZ GLY 380.A O no hydrogen 2.804 N/A LYS 376.A NZ THR 382.A OG1 no hydrogen 2.860 N/A ARG 377.A N GLU 373.A O no hydrogen 2.986 N/A VAL 378.A N ALA 374.A O no hydrogen 2.976 N/A THR 379.A N VAL 375.A O no hydrogen 2.832 N/A THR 379.A OG1 VAL 375.A O no hydrogen 2.696 N/A GLY 380.A N LYS 376.A O no hydrogen 2.719 N/A TYR 381.A N THR 379.A OG1 no hydrogen 3.118 N/A TYR 381.A OH GLU 384.A OE2 no hydrogen 2.626 N/A ALA 387.A N GLU 384.A O no hydrogen 2.988 N/A ALA 388.A N GLY 385.A O no hydrogen 2.954 N/A GLY 390.A N ALA 387.A O no hydrogen 2.897 N/A ILE 391.A N TRP 370.A O no hydrogen 3.037 N/A ILE 392.A N PHE 507.A O no hydrogen 2.825 N/A HIS 393.A N THR 368.A O no hydrogen 2.785 N/A HIS 393.A NE2 THR 504.A OG1 no hydrogen 2.800 N/A LEU 394.A N THR 505.A O no hydrogen 2.974 N/A ILE 395.A N ASP 365.A O no hydrogen 3.022 N/A ASN 396.A ND2 THR 340.A OG1 no hydrogen 3.159 N/A ASN 396.A ND2 ALA 399.A O no hydrogen 2.728 N/A SER 397.A OG GLU 341.A OE2.B no hydrogen 3.376 N/A SER 397.A OG ASN 396.A OD1 no hydrogen 3.494 N/A GLY 398.A N ASN 396.A O no hydrogen 2.730 N/A ALA 400.A N THR 321.A OG1 no hydrogen 3.308 N/A LEU 402.A N SER 325.A OG no hydrogen 2.885 N/A GLY 404.A N ALA 401.A O no hydrogen 2.783 N/A THR 405.A N LEU 402.A O no hydrogen 3.118 N/A THR 405.A OG1 LEU 402.A O no hydrogen 2.950 N/A GLY 406.A N ASP 403.A O no hydrogen 3.149 N/A GLU 407.A N THR 405.A OG1 no hydrogen 3.269 N/A GLN 408.A NE2 ASP 403.A OD2 no hydrogen 2.966 N/A THR 409.A N ASP 426.A OD1 no hydrogen 3.104 N/A THR 409.A OG1 GLU 407.A O no hydrogen 3.105 N/A LYS 410.A N LYS 413.A O no hydrogen 3.001 N/A LYS 413.A N LYS 410.A O no hydrogen 3.050 N/A VAL 415.A N GLN 408.A O no hydrogen 3.027 N/A LYS 417.A N GLN 408.A OE1 no hydrogen 2.690 N/A LYS 417.A NZ THR 409.A O no hydrogen 2.719 N/A LYS 417.A NZ ASP 426.A OD2 no hydrogen 2.745 N/A GLU 421.A N PRO 418.A O no hydrogen 2.932 N/A LEU 422.A N TYR 419.A O no hydrogen 3.120 N/A THR 423.A N ASP 426.A OD2 no hydrogen 3.067 N/A ASP 426.A N THR 423.A OG1 no hydrogen 3.006 N/A ILE 427.A N THR 423.A O no hydrogen 3.285 N/A LYS 428.A N ASP 424.A O no hydrogen 2.900 N/A LYS 428.A NZ GLU 432.A OE1 no hydrogen 2.696 N/A LYS 429.A N GLU 425.A O no hydrogen 2.895 N/A LYS 429.A NZ GLU 425.A OE2 no hydrogen 3.544 N/A CYS 430.A N ASP 426.A O no hydrogen 3.087 N/A CYS 430.A SG LEU 402.A O no hydrogen 3.744 N/A CYS 430.A SG THR 405.A OG1 no hydrogen 3.497 N/A CYS 430.A SG ASP 426.A O no hydrogen 3.354 N/A LEU 431.A N ILE 427.A O no hydrogen 3.171 N/A GLU 432.A N LYS 428.A O no hydrogen 2.992 N/A ALA 433.A N LYS 429.A O no hydrogen 3.047 N/A THR 434.A N LEU 431.A O no hydrogen 3.029 N/A THR 434.A OG1 CYS 430.A O no hydrogen 2.885 N/A GLN 435.A N ASP 452.A O no hydrogen 2.945 N/A GLN 435.A NE2 ASP 452.A OD2 no hydrogen 3.290 N/A PHE 436.A N LYS 243.A O no hydrogen 2.777 N/A ARG 437.A N SER 450.A O no hydrogen 2.935 N/A ARG 437.A NE PRO 246.A O no hydrogen 2.706 N/A ARG 437.A NH1 ASP 452.A OD2 no hydrogen 2.967 N/A ARG 437.A NH2 PRO 246.A O no hydrogen 3.150 N/A ALA 439.A N GLY 448.A O no hydrogen 2.912 N/A THR 441.A N ASN 249.A OD1 no hydrogen 2.911 N/A THR 441.A OG1 ASN 249.A OD1 no hydrogen 3.173 N/A THR 441.A OG1 PHE 253.A O no hydrogen 2.794 N/A TYR 443.A N SER 440.A O no hydrogen 3.081 N/A PHE 444.A N SER 440.A O no hydrogen 2.741 N/A GLY 446.A N THR 310.A O no hydrogen 2.808 N/A GLY 447.A N PHE 444.A O no hydrogen 3.027 N/A GLY 448.A N ASP 263.A OD2 no hydrogen 3.264 N/A TYR 449.A OH LYS 260.A O no hydrogen 2.565 N/A SER 450.A N ARG 437.A O no hydrogen 2.791 N/A SER 450.A OG ARG 437.A O no hydrogen 3.376 N/A SER 450.A OG THR 501.A O no hydrogen 2.645 N/A THR 451.A N GLY 398.A O no hydrogen 2.779 N/A THR 451.A OG1 THR 321.A OG1 no hydrogen 2.628 N/A ASP 452.A N GLN 435.A O no hydrogen 2.836 N/A THR 455.A N THR 504.A O no hydrogen 2.949 N/A THR 455.A OG1 GLY 404.A O no hydrogen 2.677 N/A THR 455.A OG1 THR 504.A O no hydrogen 3.303 N/A THR 455.A OG1 THR 505.A OG1 no hydrogen 2.707 N/A LYS 456.A N THR 405.A O no hydrogen 3.055 N/A GLY 457.A N ASP 485.A OD1 no hydrogen 2.657 N/A GLY 458.A N THR 483.A O no hydrogen 2.703 N/A MET 459.A N THR 483.A OG1 no hydrogen 3.047 N/A VAL 461.A N GLY 481.A O no hydrogen 2.945 N/A THR 462.A N SER 535.A O no hydrogen 2.917 N/A THR 462.A OG1 GLY 537.A O no hydrogen 2.729 N/A ILE 463.A N ALA 479.A O no hydrogen 2.966 N/A SER 464.A N SER 533.A O no hydrogen 2.975 N/A ARG 465.A N GLN 477.A O no hydrogen 3.024 N/A ARG 465.A NE LEU 466.A O no hydrogen 2.901 N/A ARG 465.A NE ASN 467.A OD1 no hydrogen 3.261 N/A ARG 465.A NH1 ASP 343.A OD1 no hydrogen 3.471 N/A ARG 465.A NH1 ASP 343.A OD2 no hydrogen 2.892 N/A ARG 465.A NH1 ASN 346.A OD1 no hydrogen 2.896 N/A ARG 465.A NH2 ASP 343.A OD1 no hydrogen 3.229 N/A ARG 465.A NH2 ASP 343.A OD2 no hydrogen 3.528 N/A LEU 466.A N SER 349.A OG no hydrogen 2.931 N/A ASN 467.A N VAL 475.A O no hydrogen 2.898 N/A ASN 467.A ND2 GLN 477.A OE1 no hydrogen 3.067 N/A VAL 469.A N GLY 473.A O no hydrogen 2.911 N/A LEU 472.A N VAL 469.A O no hydrogen 2.928 N/A GLY 473.A N VAL 469.A O no hydrogen 2.713 N/A VAL 475.A N ASN 467.A O no hydrogen 2.821 N/A LEU 476.A N PRO 553.A O no hydrogen 2.922 N/A GLN 477.A N ARG 465.A O no hydrogen 3.039 N/A GLN 477.A NE2 ASN 526.A O no hydrogen 3.153 N/A ILE 478.A N MET 556.A O no hydrogen 2.737 N/A ALA 479.A N ILE 463.A O no hydrogen 2.880 N/A GLU 480.A N ASN 558.A OD1 no hydrogen 2.843 N/A GLY 481.A N VAL 461.A O no hydrogen 2.875 N/A TYR 482.A N VAL 508.A O no hydrogen 2.950 N/A THR 483.A N MET 459.A O no hydrogen 2.926 N/A THR 483.A OG1 LYS 456.A O no hydrogen 2.762 N/A VAL 484.A N TRP 506.A O no hydrogen 2.898 N/A HIS 491.A N PRO 487.A O no hydrogen 2.923 N/A ASP 492.A N GLU 488.A O no hydrogen 2.967 N/A VAL 493.A N GLU 489.A O no hydrogen 3.189 N/A LEU 494.A N VAL 490.A O no hydrogen 3.156 N/A ASP 495.A N HIS 491.A O no hydrogen 2.767 N/A LYS 496.A N ASP 492.A O no hydrogen 2.913 N/A THR 498.A N ASP 495.A O no hydrogen 3.058 N/A THR 498.A OG1 LEU 494.A O no hydrogen 2.750 N/A TRP 502.A N ASP 499.A O no hydrogen 3.027 N/A THR 504.A N PHE 453.A O no hydrogen 3.005 N/A THR 504.A OG1 HIS 393.A NE2 no hydrogen 2.800 N/A THR 505.A N LEU 394.A O no hydrogen 2.974 N/A THR 505.A OG1 THR 455.A OG1 no hydrogen 2.707 N/A TRP 506.A NE1 HIS 491.A ND1 no hydrogen 2.968 N/A PHE 507.A N ILE 392.A O no hydrogen 2.936 N/A VAL 508.A N TYR 482.A O no hydrogen 2.942 N/A ASN 510.A N GLU 480.A O no hydrogen 2.834 N/A THR 512.A N PHE 517.A O no hydrogen 2.944 N/A GLY 513.A N PHE 517.A O no hydrogen 3.057 N/A GLU 514.A N THR 512.A OG1 no hydrogen 3.194 N/A PHE 517.A N GLU 514.A O no hydrogen 2.927 N/A SER 522.A N ASP 519.A OD1 no hydrogen 2.732 N/A SER 522.A OG ASP 519.A OD1 no hydrogen 2.605 N/A VAL 523.A N VAL 520.A O no hydrogen 3.101 N/A MET 524.A N VAL 520.A O no hydrogen 3.466 N/A ASN 525.A N TYR 521.A O no hydrogen 2.856 N/A ASN 526.A N SER 522.A O no hydrogen 2.994 N/A ASN 526.A ND2 SER 522.A O no hydrogen 2.822 N/A TRP 527.A N MET 524.A O no hydrogen 3.016 N/A TRP 527.A NE1 HIS 531.A O no hydrogen 3.103 N/A GLY 528.A N GLN 477.A OE1 no hydrogen 2.697 N/A HIS 531.A ND1 ASP 343.A OD2 no hydrogen 2.654 N/A CYS 532.A N ALA 364.A O no hydrogen 2.969 N/A SER 533.A N SER 464.A O no hydrogen 2.961 N/A ILE 534.A N ILE 362.A O no hydrogen 2.779 N/A SER 535.A N THR 462.A O no hydrogen 2.951 N/A SER 535.A OG TYR 536.A O no hydrogen 3.101 N/A GLY 537.A N PRO 460.A O no hydrogen 2.678 N/A HIS 538.A NE2 GLY 481.A O no hydrogen 2.785 N/A ILE 539.A N THR 462.A OG1 no hydrogen 2.990 N/A GLY 540.A N GLU 480.A OE2 no hydrogen 2.784 N/A LEU 543.A N ILE 539.A O no hydrogen 2.888 N/A ILE 544.A N GLY 540.A O no hydrogen 2.898 N/A THR 545.A N ALA 541.A O no hydrogen 3.108 N/A THR 545.A OG1 ALA 541.A O no hydrogen 3.235 N/A THR 545.A OG1 PHE 565.A O no hydrogen 2.856 N/A LEU 546.A N ASP 542.A O no hydrogen 2.961 N/A ALA 547.A N LEU 543.A O no hydrogen 2.807 N/A SER 548.A N ILE 544.A O no hydrogen 3.004 N/A SER 548.A OG THR 545.A O no hydrogen 2.756 N/A ILE 549.A N THR 545.A O no hydrogen 3.129 N/A LEU 550.A N LEU 546.A O no hydrogen 3.101 N/A ARG 551.A N SER 548.A O no hydrogen 3.146 N/A ILE 552.A N ALA 547.A O no hydrogen 2.916 N/A VAL 554.A N ASP 582.A OD2 no hydrogen 2.925 N/A ASN 555.A N LEU 476.A O no hydrogen 3.092 N/A ASN 558.A ND2 GLU 480.A O no hydrogen 2.912 N/A ASN 558.A ND2 ASN 510.A O no hydrogen 2.933 N/A VAL 559.A N HIS 557.A ND1 no hydrogen 3.079 N/A GLU 562.A N GLU 562.A OE1 no hydrogen 2.723 N/A LYS 563.A N PRO 560.A O no hydrogen 2.906 N/A LYS 563.A NZ GLU 161.A OE2 no hydrogen 2.852 N/A ILE 564.A N GLU 561.A O no hydrogen 3.132 N/A ASP 568.A N ALA 139.A O no hydrogen 2.921 N/A TRP 570.A N PRO 567.A O no hydrogen 3.030 N/A TRP 570.A NE1 ASP 582.A OD1 no hydrogen 2.879 N/A SER 571.A N ASP 568.A O no hydrogen 3.142 N/A SER 571.A OG ASP 568.A O no hydrogen 2.808 N/A MET 572.A N ALA 569.A O no hydrogen 2.942 N/A PHE 573.A N TRP 570.A O no hydrogen 2.970 N/A GLY 574.A N SER 571.A O no hydrogen 3.118 N/A GLY 580.A N ASP 577.A OD2 no hydrogen 2.977 N/A ALA 581.A N ASP 577.A O no hydrogen 3.040 N/A ASP 582.A N LEU 578.A O no hydrogen 2.918 N/A TYR 583.A N GLU 579.A O no hydrogen 3.100 N/A ARG 584.A N GLY 580.A O no hydrogen 2.978 N/A ARG 584.A NE PHE 573.A O no hydrogen 2.968 N/A ARG 584.A NH2 PHE 573.A O no hydrogen 2.959 N/A ALA 585.A N ALA 581.A O no hydrogen 2.797 N/A CYS 586.A N ASP 582.A O no hydrogen 2.953 N/A CYS 586.A SG ASP 582.A O no hydrogen 3.292 N/A CYS 586.A SG ASP 582.A OD1 no hydrogen 3.425 N/A LYS 587.A N TYR 583.A O no hydrogen 3.166 N/A LYS 588.A N ARG 584.A O no hydrogen 3.099 N/A LEU 589.A N ALA 585.A O no hydrogen 2.890 N/A